N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-[2-(4-tert-butylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]oxy-butanamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-[2-(4-tert-butylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]oxy-butanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[2-(4-tert-butylphenyl)-5-(3-pyridyl)pyrazol-3-yl]oxy-butanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-[[2-(4-tert-butylphenyl)-5-(3-pyridinyl)-3-pyrazolyl]oxy]butanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]oxybutanamide Traditional Name: 4-[2-(4-tert-butylphenyl)-5-(3-pyridyl)pyrazol-3-yl]oxy-N-tyrosyl-butyramide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)OCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)OCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C31H35N5O4/c1-31(2,3)23-10-12-24(13-11-23)36-29(19-27(35-36)22-6-4-16-33-20-22)40-17-5-7-28(38)34-30(39)26(32)18-21-8-14-25(37)15-9-21/h4,6,8-16,19-20,26,37H,5,7,17-18,32H2,1-3H3,(H,34,38,39)